1-[(4-Bromophenyl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole - CAS 1551876-08-4
Catalog: |
BB072014 |
Product Name: |
1-[(4-Bromophenyl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole |
CAS: |
1551876-08-4 |
Synonyms: |
1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole; 1-(4-Bromobenzyl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole; 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1h-1,3-benzodiazole |
IUPAC Name: | 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole |
Molecular Weight: | 291.19 |
Molecular Formula: | C14H15BrN2 |
Canonical SMILES: | C1CCC2=C(C1)N=CN2CC3=CC=C(C=C3)Br |
InChI: | InChI=1S/C14H15BrN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h5-8,10H,1-4,9H2 |
InChI Key: | CWUVSOQUUJWXGJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.04186 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.04186 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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